Title: Hexafluoroacetone
CAS Registry Number: 684-16-2
CAS Name: 1,1,1,3,3,3-Hexafluoro-2-propanone
Molecular Formula: C3F6O
Molecular Weight: 166.02
Percent Composition: C 21.70%, F 68.66%, O 9.64%
Line Formula: CF3COCF3
Literature References: Synthon in organic and inorganic reactions with an exceptionally electron deficient carbonyl group. Prepn: N. Fukuhara, L. A. Bigelow, J. Am. Chem. Soc. 63, 788 (1941). Comprehensive review: C. G. Krespan, W. J. Middleton in Fluorine Chem. Rev. vol. 1, P. Tarrant, Ed. (Marcel Dekker, New York, 1967) pp 145-196. Review of reactivity: H. W. Roesky, J. Fluorine Chem. 30, 123-139 (1985); of use in inorganic chemistry: M. Witt et al., Adv. Inorg. Chem. Radiochem. 30, 223-312 (1986); in polymer chemistry: P. E. Cassidy et al., J. Macromol. Sci. Rev. Macromol. Chem. Phys. C29, 365-429 (1989); in peptide chemistry: K. Burger et al., Amino Acids 8, 195-199 (1995); of toxicology: G. L. Kennedy, Jr., Crit. Rev. Toxicol. 21, 149-170 (1990).
Properties: bp760 -27.4°. mp -122°. d23.3 1.323; d44.4 1.149. uv max: 302 nm (e 16.9). Critical pressure: 411 psia. Critical temp: 84.1°. Heat capacity (Btu/lb/°F) of liquid at 0°: 0.192; of vapor: 0.23. Reacts with water to form hydrates. LD50 (mg/kg) in rats: 190 orally (trihydrate), 670 dermally (sesquihydrate); in mice: 250 i.p., 180 i.v.; in rabbits: 113 dermally (trihydrate) (Kennedy).
Melting point: mp -122°
Boiling point: bp760 -27.4°
Absorption maximum: uv max: 302 nm (e 16.9)
Density: d23.3 1.323; d44.4 1.149
Toxicity data: LD50 (mg/kg) in rats: 190 orally (trihydrate), 670 dermally (sesquihydrate); in mice: 250 i.p., 180 i.v.; in rabbits: 113 dermally (trihydrate) (Kennedy)
Use: Protecting and activating reagent in peptide chemistry; in synthesis of high performance fluoropolymers, pharmaceutical and agricultural chemicals; in 19F NMR. Solvent for polyamides, polyesters, polyacetals, polyols.

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